5-(butanoylcarbamothioylamino)-2-chloranyl-benzoic acid

Systemtic Name: 5-(butanoylcarbamothioylamino)-2-chloranyl-benzoic acid Openeye Name: 5-(butanoylcarbamothioylamino)-2-chloro-benzoic acid CAS Name: 2-chloro-5-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-(butanoylcarbamothioylamino)-2-chlorobenzoic acid Traditional Name: 5-(butyrylthiocarbamoylamino)-2-chloro-benzoic acid Formula: C12H13ClN2O3S MolecularWeight: 300.76122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C12H13ClN2O3S/c1-2-3-10(16)15-12(19)14-7-4-5-9(13)8(6-7)11(17)18/h4-6H,2-3H2,1H3,(H,17,18)(H2,14,15,16,19)